To Whom It May Concern:
Do you need to have the parameters numbered in order?
For example:
[ bonds ]
; ai aj funct c0 c1
c2 c3
1 2 2 gb_16 ; CR6 (CR1) CR6 (CR1)
1.41611228368 Angstroms
1 6 2 gb_16 ; CR6 (CR1) CR6 (CR1)
1.40526545535 Angstroms
3 4 2 gb_16 ; CR6 (CR1) CR6 (CR1)
1.4138394534 Angstroms
3 15 2 gb_10 ; CR6 (CR1) *NRC (NR)
1.36034591189 Angstroms
4 5 2 gb_16 ; CR6 (CR1) CR6 (CR1)
1.40558244155 Angstroms
5 6 2 gb_16 ; CR6 (CR1) CR6 (CR1)
1.40420831788 Angstroms
7 8 2 gb_16 ; C2 (CR1) C2 (CR1)
1.4078362831 Angstroms
7 23 2 gb_3 ; C2 (CR1) H2 (HC)
1.02469166094 Angstroms
8 24 2 gb_3 ; C2 (CR1) H2 (HC)
1.0243183099 Angstroms
2 3 2 gb_16 ; CR6 (CR1) CR6 (CR1)
1.42527962169 Angstroms <-- Notice this term is out of order.
Your input would be greatly appreciated.
Best wishes,
Art
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